Molecule

ID:71607

General Information
Structure
MolImage
Molecular Formula
C₄H₈ClNO
Molecular Mass
121.56542
Exact Mass
121.02944156
Charge
0
InChI
InChI=1S/C4H7NO.ClH/c1-2-4-6-5-3-1;/h1-2,5H,3-4H2;1H
InChIKey
AQNFWRXAVLPFCH-UHFFFAOYSA-N
Canonic Smiles
O1NCC=CC1.Cl
Isomeric Smiles
N1OCC=CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.09969118
LogD (pH = 7.4)
0.21514131
Log P
0.21683113
Molar Refractivity
35.0081
Polarizability
9.345625
Polar Surface Area
21.26
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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